2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid

C15H20FN3O2 — CID 82310896

IUPAC2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid
SMILESCCCCN(C)Cc1nc2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C15H20FN3O2/c1-3-4-7-18(2)9-14-17-12-8-11(16)5-6-13(12)19(14)10-15(20)21/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,20,21)
InChIKeyWNRLDXBZUCRTBN-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.49
Rot. Bonds7

About 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid

2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid (PubChem CID 82310896) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid
PubChem CID82310896
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid
SMILESCCCCN(C)Cc1nc2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C15H20FN3O2/c1-3-4-7-18(2)9-14-17-12-8-11(16)5-6-13(12)19(14)10-15(20)21/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,20,21)
InChIKeyWNRLDXBZUCRTBN-UHFFFAOYSA-N
XLogP2.49
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid (CID 82310896) is 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid is CCCCN(C)Cc1nc2cc(F)ccc2n1CC(=O)O.
What is the InChIKey of 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid?
The InChIKey is WNRLDXBZUCRTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-3-4-7-18(2)9-14-17-12-8-11(16)5-6-13(12)19(14)10-15(20)21/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid?
2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 82310896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).